SCHEMBL15213161

SCHEMBL15213161

CC(C)c1nc(O)n(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NT5E P21589 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24968742 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL21217389 0.80 ALDH1A1 (0.46) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL21893413 0.76 ALDH1A1 (0.40) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL14978997 0.76 KDM4A (0.45) ALDH1A1KDM4AKDM4CLMNATSHR
SCHEMBL10560957 0.72 KDM4A (0.41) ALDH1A1GAAKDM4AKDM4CLMNA
SCHEMBL11995842 0.71 LMNA (0.63) ALDH1A1GAAKDM4AKDM4CLMNA
SCHEMBL9963870 0.71 GRN (0.47) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL17290503 0.70 ALDH1A1 (0.65) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL21471362 0.70 KDM4A (0.47) KDM4ASMN1; SMN2
SCHEMBL23401080 0.69 ALDH1A1 (0.50) ALDH1A1GAAMAPK13MAPK12MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US disclosed
US-9725448-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 US disclosed
US-20170066764-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-09 US disclosed
WO-2013123222-A1 PROCESS FOR PREPARING 4-AMINO-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-PENTANOIC ACID COMPOUNDS THERAVANCE, INC. (US) 2013-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 2644/4885GAA 125/4885MAPK13 3549/4885
US-20170066764-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB ALDH1A1 3379/4885GAA 176/4885MAPK13 3769/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.